bis(2-butoxyethoxy)-oxophosphanium

C12H26O5P+ — CID 6327789

IUPACbis(2-butoxyethoxy)-oxophosphanium
SMILESCCCCOCCO[P+](=O)OCCOCCCC
InChIInChI=1S/C12H26O5P/c1-3-5-7-14-9-11-16-18(13)17-12-10-15-8-6-4-2/h3-12H2,1-2H3/q+1
InChIKeyAATPXANTKPWVOQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.31
Rot. Bonds14

About bis(2-butoxyethoxy)-oxophosphanium

bis(2-butoxyethoxy)-oxophosphanium (PubChem CID 6327789) has the molecular formula C12H26O5P+ and a molecular weight of 281.31 g/mol. Its IUPAC name is bis(2-butoxyethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-butoxyethoxy)-oxophosphanium
PubChem CID6327789
Molecular FormulaC12H26O5P+
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Namebis(2-butoxyethoxy)-oxophosphanium
SMILESCCCCOCCO[P+](=O)OCCOCCCC
InChIInChI=1S/C12H26O5P/c1-3-5-7-14-9-11-16-18(13)17-12-10-15-8-6-4-2/h3-12H2,1-2H3/q+1
InChIKeyAATPXANTKPWVOQ-UHFFFAOYSA-N
XLogP3.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Tributyl Phosphate
CID 31357
Tris(2-butoxyethyl) phosphate
CID 6540
Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CID 84299
Ethanol, 2-methoxy-, 1,1',1''-phosphate
CID 22542
Phosphoric acid, butyl diethyl ester
CID 75956
2-Butoxyethyl phosphate
CID 62009
Ethanol, 2-(2-butoxyethoxy)-, phosphate
CID 173028
Bis(2-butoxyethyl) 2-hydroxyethyl phosphate
CID 132967161
Phosphoric acid, dibutyl methyl ester
CID 81655
Ethanol, 2-propoxy-, phosphate (3:1)
CID 45451
ethanol, 2-(2-butoxyethoxy)-, phosphate, potassium salt
CID 173027
PEG2-bis(phosphonic acid diethyl ester)
CID 239285

Frequently Asked Questions

What is the IUPAC name of bis(2-butoxyethoxy)-oxophosphanium?
The IUPAC name of bis(2-butoxyethoxy)-oxophosphanium (CID 6327789) is bis(2-butoxyethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-butoxyethoxy)-oxophosphanium?
The canonical SMILES for bis(2-butoxyethoxy)-oxophosphanium is CCCCOCCO[P+](=O)OCCOCCCC.
What is the InChIKey of bis(2-butoxyethoxy)-oxophosphanium?
The InChIKey is AATPXANTKPWVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5P/c1-3-5-7-14-9-11-16-18(13)17-12-10-15-8-6-4-2/h3-12H2,1-2H3/q+1.
What are the key properties of bis(2-butoxyethoxy)-oxophosphanium?
bis(2-butoxyethoxy)-oxophosphanium has a molecular weight of 281.31 g/mol, XLogP of 3.31, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butoxyethoxy)-oxophosphanium is sourced from PubChem (CID 6327789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).